REMARK  Name = BDB028228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.273  -0.245   0.602  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.018   0.318   0.039  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.066   1.631  -0.424  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.929   2.237  -0.971  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.265   1.521  -1.057  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.329   0.200  -0.599  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.334   2.376  -0.353  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.413   3.537  -0.736  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.407   1.691   0.159  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.293   2.186   0.214  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.820  -0.402  -0.061  0.00  0.00    +0.020 A 
ATOM     12  N   LIG    1       -4.393   0.417   0.633  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.568  -0.560  -0.702  0.00  0.00    +0.073 A 
ATOM     14  N   LIG    1        2.766  -0.251  -0.073  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1        3.684  -1.232  -0.450  0.00  0.00    +0.174 A 
ATOM     16  C   LIG    1        5.000  -1.106   0.076  0.00  0.00    +0.166 A 
ATOM     17  C   LIG    1        5.318  -0.096   0.903  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1        4.331   0.898   1.290  0.00  0.00    +0.021 A 
ATOM     19  F   LIG    1        5.929  -2.021  -0.268  0.00  0.00    -0.202 F 
ATOM     20  N   LIG    1        3.133  -2.127  -1.243  0.00  0.00    -0.233 NA
ATOM     21  C   LIG    1        3.085   0.799   0.796  0.00  0.00    +0.093 A 
ATOM     22  C   LIG    1        1.835  -1.726  -1.398  0.00  0.00    +0.140 A 
ENDBRANCH   6  13
BRANCH   1  23
ATOM     23  C   LIG    1       -3.293  -1.668   1.157  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.704  -2.595   0.101  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -3.115  -2.486  -0.722  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -4.647  -2.337  -0.198  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 3